N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine

C13H15N5S — CID 84591411

IUPACN-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine
SMILESCC(Cc1ccsc1)N(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H15N5S/c1-9(5-10-3-4-19-6-10)18(2)13-11-12(15-7-14-11)16-8-17-13/h3-4,6-9H,5H2,1-2H3,(H,14,15,16,17)
InChIKeyDEDGHFIJDSLRQI-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.48
Rot. Bonds4

About N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine

N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine (PubChem CID 84591411) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine
PubChem CID84591411
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC NameN-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine
SMILESCC(Cc1ccsc1)N(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C13H15N5S/c1-9(5-10-3-4-19-6-10)18(2)13-11-12(15-7-14-11)16-8-17-13/h3-4,6-9H,5H2,1-2H3,(H,14,15,16,17)
InChIKeyDEDGHFIJDSLRQI-UHFFFAOYSA-N
XLogP2.48
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine?
The IUPAC name of N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine (CID 84591411) is N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine?
The canonical SMILES for N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine is CC(Cc1ccsc1)N(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine?
The InChIKey is DEDGHFIJDSLRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-9(5-10-3-4-19-6-10)18(2)13-11-12(15-7-14-11)16-8-17-13/h3-4,6-9H,5H2,1-2H3,(H,14,15,16,17).
What are the key properties of N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine?
N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine has a molecular weight of 273.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-thiophen-3-ylpropan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 84591411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).